4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one

C11H19N3O2 — CID 136817758

IUPAC4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
SMILESCCC(CC)C(O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O2/c1-3-8(4-2)9(15)6-12-10-5-11(16)14-7-13-10/h5,7-9,15H,3-4,6H2,1-2H3,(H2,12,13,14,16)
InChIKeyXCJDSNYRUOIBKS-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.98
Rot. Bonds6

About 4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one

4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136817758) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
PubChem CID136817758
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
SMILESCCC(CC)C(O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O2/c1-3-8(4-2)9(15)6-12-10-5-11(16)14-7-13-10/h5,7-9,15H,3-4,6H2,1-2H3,(H2,12,13,14,16)
InChIKeyXCJDSNYRUOIBKS-UHFFFAOYSA-N
XLogP0.98
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one (CID 136817758) is 4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one is CCC(CC)C(O)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is XCJDSNYRUOIBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-8(4-2)9(15)6-12-10-5-11(16)14-7-13-10/h5,7-9,15H,3-4,6H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one?
4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136817758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).